ChemSpider 2D Image | Ethyl 6-{[4-(2-chlorobenzoyl)-1-piperazinyl]methyl}-4-(2-chlorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C26H28Cl2N4O4

Ethyl 6-{[4-(2-chlorobenzoyl)-1-piperazinyl]methyl}-4-(2-chlorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC26H28Cl2N4O4
  • Average mass531.431 Da
  • Monoisotopic mass530.148743 Da
  • ChemSpider ID22633190

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5-Pyrimidinecarboxylic acid, 6-[[4-(2-chlorobenzoyl)-1-piperazinyl]methyl]-4-(2-chlorophenyl)-1,2,3,4-tetrahydro-1-methyl-2-oxo-, ethyl ester [ACD/Index Name]
6-{[4-(2-Chlorobenzoyl)-1-pipérazinyl]méthyl}-4-(2-chlorophényl)-1-méthyl-2-oxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-{[4-(2-chlorobenzoyl)-1-piperazinyl]methyl}-4-(2-chlorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-6-{[4-(2-chlorbenzoyl)-1-piperazinyl]methyl}-4-(2-chlorphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 706.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 380.8±32.9 °C
Index of Refraction: 1.602
Molar Refractivity: 137.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 6.00
ACD/KOC (pH 5.5): 41.68
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 178.86
ACD/KOC (pH 7.4): 1242.88
Polar Surface Area: 82 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 400.7±3.0 cm3

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